SCHEMBL8345736

SCHEMBL8345736

CCOC(=O)C(C)(O)c1c(SC)nc(C)n1Cc1ccc(-c2ccccc2S(N)(=O)=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 11/20 0.61

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8351909 0.85 AGTR2 (0.56) AGTR2
SCHEMBL8353768 0.85 AGTR2 (0.84) AGTR2
SCHEMBL8345753 0.84 AGTR2 (0.72) AGTR2
SCHEMBL8353166 0.83 AGTR2 (0.46) AGTR2
SCHEMBL7613378 0.77 AGTR1 (0.60) AGTR2
SCHEMBL8638034 0.75 AGTR2 (0.54) AGTR2
SCHEMBL7608200 0.75 AGTR1 (0.63) AGTR2
SCHEMBL8348626 0.74 AGTR2 (0.72) AGTR2
SCHEMBL8640736 0.74 AGTR2 (0.56) AGTR2
SCHEMBL7608189 0.72 AGTR1 (0.49) AGTR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5977155-A CARDIOVASCULAR, KIDNEYS HOECHST MARION ROUSSEL (FR) 1999-11-02 US disclosed